200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1782622-40-5
1782622-40-5 | 1-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid
CAS No: 1782622-40-5 Catalog No: AG003AUW MDL No:
Product Description
Catalog Number:
AG003AUW
Chemical Name:
1-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid
CAS Number:
1782622-40-5
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
IUPAC Name:
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-7-8(6-15)14(4)13-9(7)10(16)17/h5-6H2,1-4H3,(H,16,17)
InChI Key:
UQQUIBHGLZBWJD-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)c(nn2C)C(=O)O)OC(C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.